SCHEMBL6575773

SCHEMBL6575773

O=[N+]([O-])c1ccc(OCCBr)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 4/20 0.50
HSPB1 P04792 3/20 0.50
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
PRSS1 P07477 4/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HIF1A Q16665 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7907585 0.90 NPC1 (0.59) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL8372523 0.89 PRSS1 (0.57) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL8372329 0.89 PRSS1 (0.57) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL11221739 0.88 MAPT (0.56) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL22117910 0.84 S1PR4 (0.44) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL31174878 0.84 S1PR4 (0.44) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL29695817 0.84 TSHR (0.59) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL8973132 0.84 CYP19A1 (0.57) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL4101417 0.84 TSHR (0.59) MEN1MAPTKMT2AKDM4ELMNA
SCHEMBL3857759 0.83 MAPT (0.63) MEN1MAPTKMT2ALMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107533260-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学工业株式会社 2020-12-25 CN disclosed
CN-104130139-A Preparation method of choline derivative, namely, bromotriethyl-2-(2,4-dinitrophenoxyl)ethylammonium UNIV SHAOXING 2014-11-05 CN disclosed
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed